N-(5-methyl-1-phenylpyrrolidin-3-yl)-2-(oxolan-2-yl)ethanesulfonamide

C17H26N2O3S — CID 71969810

IUPACN-(5-methyl-1-phenylpyrrolidin-3-yl)-2-(oxolan-2-yl)ethanesulfonamide
SMILESCC1CC(NS(=O)(=O)CCC2CCCO2)CN1c1ccccc1
InChIInChI=1S/C17H26N2O3S/c1-14-12-15(13-19(14)16-6-3-2-4-7-16)18-23(20,21)11-9-17-8-5-10-22-17/h2-4,6-7,14-15,17-18H,5,8-13H2,1H3
InChIKeyZADVGQBFNDMESL-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.14
Rot. Bonds6

About N-(5-methyl-1-phenylpyrrolidin-3-yl)-2-(oxolan-2-yl)ethanesulfonamide

N-(5-methyl-1-phenylpyrrolidin-3-yl)-2-(oxolan-2-yl)ethanesulfonamide (PubChem CID 71969810) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-(5-methyl-1-phenylpyrrolidin-3-yl)-2-(oxolan-2-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(5-methyl-1-phenylpyrrolidin-3-yl)-2-(oxolan-2-yl)ethanesulfonamide
PubChem CID71969810
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-(5-methyl-1-phenylpyrrolidin-3-yl)-2-(oxolan-2-yl)ethanesulfonamide
SMILESCC1CC(NS(=O)(=O)CCC2CCCO2)CN1c1ccccc1
InChIInChI=1S/C17H26N2O3S/c1-14-12-15(13-19(14)16-6-3-2-4-7-16)18-23(20,21)11-9-17-8-5-10-22-17/h2-4,6-7,14-15,17-18H,5,8-13H2,1H3
InChIKeyZADVGQBFNDMESL-UHFFFAOYSA-N
XLogP2.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-methyl-1-phenylpyrrolidin-3-yl)-2-(oxolan-2-yl)ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1-phenylpyrrolidin-3-yl)-2-(oxolan-2-yl)ethanesulfonamide?
The IUPAC name of N-(5-methyl-1-phenylpyrrolidin-3-yl)-2-(oxolan-2-yl)ethanesulfonamide (CID 71969810) is N-(5-methyl-1-phenylpyrrolidin-3-yl)-2-(oxolan-2-yl)ethanesulfonamide.
What is the SMILES notation for N-(5-methyl-1-phenylpyrrolidin-3-yl)-2-(oxolan-2-yl)ethanesulfonamide?
The canonical SMILES for N-(5-methyl-1-phenylpyrrolidin-3-yl)-2-(oxolan-2-yl)ethanesulfonamide is CC1CC(NS(=O)(=O)CCC2CCCO2)CN1c1ccccc1.
What is the InChIKey of N-(5-methyl-1-phenylpyrrolidin-3-yl)-2-(oxolan-2-yl)ethanesulfonamide?
The InChIKey is ZADVGQBFNDMESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-14-12-15(13-19(14)16-6-3-2-4-7-16)18-23(20,21)11-9-17-8-5-10-22-17/h2-4,6-7,14-15,17-18H,5,8-13H2,1H3.
What are the key properties of N-(5-methyl-1-phenylpyrrolidin-3-yl)-2-(oxolan-2-yl)ethanesulfonamide?
N-(5-methyl-1-phenylpyrrolidin-3-yl)-2-(oxolan-2-yl)ethanesulfonamide has a molecular weight of 338.47 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1-phenylpyrrolidin-3-yl)-2-(oxolan-2-yl)ethanesulfonamide is sourced from PubChem (CID 71969810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).